(2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide

C18H20N6O3 — CID 140679212

About (2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide

(2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide (PubChem CID 140679212) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide
• PubChem CID: 140679212
• Molecular Formula: C18H20N6O3
• Molecular Weight: 368.40 g/mol
• Exact Mass: 368.16
• IUPAC Name: (2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide
• SMILES: COc1ccnc(Nc2cc(C)cc(-c3cnn(C[C@H](O)C(N)=O)c3)c2)n1
• InChI: InChI=1S/C18H20N6O3/c1-11-5-12(13-8-21-24(9-13)10-15(25)17(19)26)7-14(6-11)22-18-20-4-3-16(23-18)27-2/h3-9,15,25H,10H2,1-2H3,(H2,19,26)(H,20,22,23)/t15-/m0/s1
• InChIKey: OAZDXNVEQJWIBP-HNNXBMFYSA-N
• XLogP: 1.25
• TPSA: 128.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.40
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide?

The IUPAC name of (2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide (CID 140679212) is (2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide.

What is the SMILES notation for (2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide?

The canonical SMILES for (2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide is COc1ccnc(Nc2cc(C)cc(-c3cnn(C[C@H](O)C(N)=O)c3)c2)n1.

What is the InChIKey of (2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide?

The InChIKey is OAZDXNVEQJWIBP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-11-5-12(13-8-21-24(9-13)10-15(25)17(19)26)7-14(6-11)22-18-20-4-3-16(23-18)27-2/h3-9,15,25H,10H2,1-2H3,(H2,19,26)(H,20,22,23)/t15-/m0/s1.

What are the key properties of (2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide?

(2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide has a molecular weight of 368.40 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide is sourced from PubChem (CID 140679212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).